Geometry & MOs

Info

ID:	205795
PubChem CID:	80158710
Reduced:	FN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	304.115796
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	7.32
IP(EA), eV:	-8.35(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-fluoroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NCC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations